6''-O-Malonyldaidzin
TL;DR: 6''-O-Malonyldaidzin (CAS 124590-31-4) is a chemical compound with molecular formula C24H22O12 and molecular weight 502.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Also Known As: Malonyldaidzin, 6"-O-Malonyldaidzin, Daidzin 6''-O-Malonate, Malonyl-daidzin, malonyl daidzin
| Molecular Formula | C24H22O12 |
|---|---|
| Molecular Weight | 502.11 g/mol |
| LogP | 0.3699 |
| Topological Polar Surface Area | 193.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.1111 |
| Heavy Atoms | 36 |
| Complexity | 1314.9166 |
Chemical Identifiers
| CAS Number | 124590-31-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O |
Product Overview
6''-O-Malonyldaidzin (CAS 124590-31-4), with molecular formula C24H22O12 and molecular weight 502.11 g/mol. IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid.
Chemical Property Profile of 6''-O-Malonyldaidzin
Property Insights of 6''-O-Malonyldaidzin
The XLogP value of 0.3699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6''-O-Malonyldaidzin. The TPSA of 193.19 Ų indicates high polarity, suggesting 6''-O-Malonyldaidzin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6''-O-Malonyldaidzin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6''-O-Malonyldaidzin?
The CAS number of 6''-O-Malonyldaidzin is 124590-31-4.
What is the molecular formula of 6''-O-Malonyldaidzin?
The molecular formula of 6''-O-Malonyldaidzin is C24H22O12.
What is the molecular weight of 6''-O-Malonyldaidzin?
The molecular weight of 6''-O-Malonyldaidzin is 502.11 g/mol.
Where can I buy 6''-O-Malonyldaidzin?
You can request a quote for 6''-O-Malonyldaidzin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6''-O-Malonyldaidzin?
Yes, KEHONG BIO provides custom synthesis services for 6''-O-Malonyldaidzin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.